3-(4-acetyloxyphenyl)-2-(3-chloranyl-2,5-dimethyl-pyrrol-1-yl)propanoic acid

Systemtic Name: 3-(4-acetyloxyphenyl)-2-(3-chloranyl-2,5-dimethyl-pyrrol-1-yl)propanoic acid Openeye Name: 3-(4-acetoxyphenyl)-2-(3-chloro-2,5-dimethyl-pyrrol-1-yl)propanoic acid CAS Name: 3-(4-acetyloxyphenyl)-2-(3-chloro-2,5-dimethyl-1-pyrrolyl)propanoic acid IUPAC Name: 3-(4-acetyloxyphenyl)-2-(3-chloro-2,5-dimethylpyrrol-1-yl)propanoic acid Traditional Name: 3-(4-acetoxyphenyl)-2-(3-chloro-2,5-dimethyl-pyrrol-1-yl)propionic acid Formula: C17H18ClNO4 MolecularWeight: 335.78212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(CC2=CC=C(C=C2)OC(=O)C)C(=O)O)C)Cl

Isomeric SMILES

CC1=CC(=C(N1C(CC2=CC=C(C=C2)OC(=O)C)C(=O)O)C)Cl

InChI

InChI=1S/C17H18ClNO4/c1-10-8-15(18)11(2)19(10)16(17(21)22)9-13-4-6-14(7-5-13)23-12(3)20/h4-8,16H,9H2,1-3H3,(H,21,22)